SCHEMBL104650

SCHEMBL104650

CC(C)NC1CCCCC1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
TAS1R2 Q8TE23 4/20 0.35
USP2 O75604 1/20 0.35
PIM1 P11309 1/20 0.34
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10130312 1.00 TAS1R3 (0.44) TAS1R3TAS1R1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL12231487 0.95 TAS1R3 (0.40) TAS1R3TAS1R1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL18412740 0.95 TAS1R3 (0.40) TAS1R3TAS1R1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL14268028 0.95 TAS1R3 (0.40) TAS1R3TAS1R1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL23722403 0.83 TAS1R3 (0.41) TAS1R3TAS1R1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL13303583 0.83 PIM1 (0.42) TAS1R3TAS1R1PIM1KDM4E
SCHEMBL20061124 0.83 PIM1 (0.42) TAS1R3TAS1R1PIM1KDM4E
SCHEMBL4417021 0.83 PIM1 (0.42) TAS1R3TAS1R1PIM1KDM4E
SCHEMBL22647693 0.80 PIM1 (0.41) TAS1R3TAS1R1EPHX1ALDH1A1CA1
Hydrochloric Acid SCHEMBL6656735 0.78 PIM1 (0.40) TAS1R3TAS1R1PIM1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306111-A2 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-01-17 EP disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-5262426-A Treatment of cardiovascular disorders, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TAS1R3 1218/4885TAS1R1 1469/4885EPHX1 4407/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 TAS1R3 4475/4885TAS1R1 3974/4885EPHX1 942/4885
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS IDO2, IDO1, INMT TAS1R3 4529/4885TAS1R1 4601/4885EPHX1 2812/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.